dimethyl-bis(2-oxidanyloctadecyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl-bis(2-oxidanyloctadecyl)azanium; 4-methylbenzenesulfonate Openeye Name: bis(2-hydroxyoctadecyl)-dimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: bis(2-hydroxyoctadecyl)-dimethylammonium; 4-methylbenzenesulfonate IUPAC Name: bis(2-hydroxyoctadecyl)-dimethylazanium; 4-methylbenzenesulfonate Traditional Name: bis(2-hydroxyoctadecyl)-dimethyl-ammonium tosylate Formula: C45H87NO5S MolecularWeight: 754.24098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C[N+](C)(C)CC(CCCCCCCCCCCCCCCC)O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C[N+](C)(C)CC(CCCCCCCCCCCCCCCC)O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C38H80NO2.C7H8O3S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(40)35-39(3,4)36-38(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-6-2-4-7(5-3-6)11(8,9)10/h37-38,40-41H,5-36H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1